LMST01140004 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 999 V2000 8.4354 9.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4428 8.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4428 7.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4354 6.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 7.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4138 7.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4138 8.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 9.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 8.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 10.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4138 10.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 10.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 9.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 9.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 10.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 10.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 11.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 9.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 11.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4657 12.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1933 12.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9875 11.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7816 12.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0422 11.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 12.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4138 9.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3990 8.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 8.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5516 11.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3216 12.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5516 11.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1933 13.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9875 11.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7816 13.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 6.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5473 6.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 9.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0628 6.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 1 9 1 0 0 0 0 5 9 1 0 0 0 0 8 9 1 0 0 0 0 7 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 1 0 0 0 9 18 1 1 0 0 0 19 20 1 6 0 0 0 16 24 1 6 0 0 0 19 25 1 1 0 0 0 3 26 1 6 0 0 0 7 27 1 1 0 0 0 8 28 1 6 0 0 0 13 29 1 6 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 21 33 1 1 0 0 0 22 34 1 1 0 0 0 23 35 2 0 0 0 0 5 36 1 0 0 0 0 36 37 1 0 0 0 0 37 6 1 0 0 0 0 36 38 2 0 0 0 0 2 39 1 6 0 0 0 5 40 1 6 0 0 0 M END > LMST01140004 > Dolicholide > 2alpha,3alpha,22R,23R-tetrahydroxy-6,7-seco-ergost-24(28)-en-6,7-lactone > C28H46O6 > 478.33 > Sterol Lipids [ST] > Sterols [ST01] > Brassinolides and derivatives [ST0114] > - > 2alpha,3alpha,22R,23R-tetrahydroxy-homo-7-oxa-5alpha-ergost-24(28)-en-6-one > PPFRJNLKWADOTL-WOGJWQOOSA-N > InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3/t16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@@H](O)[C@H](O)C(=C)C(C)C)CC[C@@]4([H])[C@]3([H])COC(=O)[C@@]2([H])C[C@H](O)[C@@H]1O > - > - > 166786 > ST 28:2;O6 > - > - > 11038144 > - > - > - > - > - > 35936 > - $$$$